9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid

C16H10BrN3O2 — CID 54670059

IUPAC9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C1=Nc3cccc(Br)c3CN1C=N2
InChIInChI=1S/C16H10BrN3O2/c17-12-2-1-3-14-11(12)7-20-8-18-13-5-4-9(16(21)22)6-10(13)15(20)19-14/h1-6,8H,7H2,(H,21,22)
InChIKeyCNKCJUSIKVKJHE-UHFFFAOYSA-N
MW356.18 g/mol
LogP3.71
Rot. Bonds1

About 9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid

9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid (PubChem CID 54670059) has the molecular formula C16H10BrN3O2 and a molecular weight of 356.18 g/mol. Its IUPAC name is 9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid
PubChem CID54670059
Molecular FormulaC16H10BrN3O2
Molecular Weight356.18 g/mol
Exact Mass355.00
IUPAC Name9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C1=Nc3cccc(Br)c3CN1C=N2
InChIInChI=1S/C16H10BrN3O2/c17-12-2-1-3-14-11(12)7-20-8-18-13-5-4-9(16(21)22)6-10(13)15(20)19-14/h1-6,8H,7H2,(H,21,22)
InChIKeyCNKCJUSIKVKJHE-UHFFFAOYSA-N
XLogP3.71
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxo-3H-quinoline-3,6-dicarboxylic acid
CID 75682864
3-(2-bromophenyl)-4-fluorobenzoic acid
CID 107957461
2-amino-3-bromoquinoline-6-carboxylic acid
CID 156830315
2-(3-bromopyridine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 107517250
biphenylene-2-carboxylic acid;hydrochloride
CID 70419826
3-bromo-4-[(3-bromo-2-pyridinyl)sulfanylmethyl]benzoic acid
CID 102765830
4-bromo-3-(3-hydroxyphenyl)benzoic acid
CID 115053012
3-bromo-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-ylmethyl)benzoic acid
CID 154740414
9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid
CID 144801520
12-oxo-10H-isoindolo[1,2-b]quinazoline-9-carboxylic acid
CID 86164919
2-bromoterephthalic acid;dihydrochloride
CID 175123722
2-bromo-5-carboxyphenolate
CID 54741926

Frequently Asked Questions

What is the IUPAC name of 9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid?
The IUPAC name of 9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid (CID 54670059) is 9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid.
What is the SMILES notation for 9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid?
The canonical SMILES for 9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid is O=C(O)c1ccc2c(c1)C1=Nc3cccc(Br)c3CN1C=N2.
What is the InChIKey of 9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid?
The InChIKey is CNKCJUSIKVKJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O2/c17-12-2-1-3-14-11(12)7-20-8-18-13-5-4-9(16(21)22)6-10(13)15(20)19-14/h1-6,8H,7H2,(H,21,22).
What are the key properties of 9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid?
9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid has a molecular weight of 356.18 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-8H-quinazolino[3,2-c]quinazoline-2-carboxylic acid is sourced from PubChem (CID 54670059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).